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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-, ethyl ester
SpectraBase Compound ID SQGBo08WBr
InChI InChI=1S/C18H32N2O5/c1-8-24-15(21)10-9-14(11-12(2)3)20-16(22)13(4)19-17(23)25-18(5,6)7/h9-10,12-14H,8,11H2,1-7H3,(H,19,23)(H,20,22)/b10-9+
InChIKey QHZSZANYKZOFQJ-MDZDMXLPSA-N
Mol Weight 356.5 g/mol
Molecular Formula C18H32N2O5
Exact Mass 356.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSbjuQg14hC
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32N2O5
InChI InChI=1S/C18H32N2O5/c1-8-24-15(21)10-9-14(11-12(2)3)20-16(22)13(4)19-17(23)25-18(5,6)7/h9-10,12-14H,8,11H2,1-7H3,(H,19,23)(H,20,22)/b10-9+
InChIKey QHZSZANYKZOFQJ-MDZDMXLPSA-N
Molecular Weight 356.463 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)C)=O)C(\C=C\C(OCC)=O)CC(C)C
SPLASH splash10-0006-9310000000-98d6963650e0da8222f9
Synonyms 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)-(S)-alanylamino]-6-methyl-, ethyl ester (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-6-methyl-hept-2-enoic acid ethyl ester (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-heptenoic acid ethyl ester Ethyl (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-6-methyl-hept-2-enoate Ethyl (E)-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hept-2-enoate
Wiley ID 1492341